Responses of Core–Shell Al/Al2O3 Nanoparticles to Heating: ReaxFF Molecular Dynamics Simulations

2018 ◽  
Vol 122 (16) ◽  
pp. 9191-9197 ◽  
Author(s):  
HuaDong Zeng ◽  
XinLu Cheng ◽  
ChaoYang Zhang ◽  
ZhiPeng Lu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Core Shell ◽  
Al2o3 Nanoparticles ◽  
Dynamics Simulations

Size effect in the melting and freezing behaviors of Al/Ti core-shell nanoparticles using molecular dynamics simulations

2016 ◽  
Vol 25 (3) ◽  
pp. 036102 ◽  
Author(s):  
Jin-Ping Zhang ◽  
Yang-Yang Zhang ◽  
Er-Ping Wang ◽  
Cui-Ming Tang ◽  
Xin-Lu Cheng ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Size Effect ◽  
Molecular Dynamics Simulations ◽  
Core Shell ◽  
Shell Nanoparticles ◽  
Dynamics Simulations ◽  
Core Shell Nanoparticles

Atomic structure and thermal stability of Pt–Fe bimetallic nanoparticles: from alloy to core/shell architectures

2016 ◽  
Vol 18 (25) ◽  
pp. 17010-17017 ◽  
Author(s):  
Rao Huang ◽  
Yu-Hua Wen ◽  
Gui-Fang Shao ◽  
Shi-Gang Sun
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Atomic Structure ◽  
Bimetallic Nanoparticles ◽  
Structure Evolution ◽  
Core Shell ◽  
Dynamics Simulations ◽  
Thermal Stability Of

Molecular dynamics simulations are used to investigate structure evolution and thermal stability of Pt–Fe bimetallic nanoparticles with different architectures.

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